1,13-Tridecanediol

This chemical is called 1,13-Tridecanediol, and its systematic name is tridecane-1,13-diol. With the molecular formula of C₁₃H₂₈O₂, its molecular weight is 216.36. The CAS registry number of this chemical is 13362-52-2.

Other characteristics of 1,13-Tridecanediol can be summarised as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 351; (6)ACD/BCF (pH 7.4): 351; (7)ACD/KOC (pH 5.5): 2310; (8)ACD/KOC (pH 7.4): 2310; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 65.346 cm³; (15)Molar Volume: 238.135 cm³; (16)Polarizability: 25.905×10^-24cm³; (17)Surface Tension: 35.878 dyne/cm; (18)Density: 0.909 g/cm³; (19)Flash Point: 154.807 °C; (20)Enthalpy of Vaporization: 68.08 kJ/mol; (21)Boiling Point: 343.889 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of this chemical: The 1,13-Tridecanediol could be obtained by the reactant of tridecanedioic acid dimethyl ester, the reagent of LiAlH₄, and the solvent of diethyl ether. In addition,  time for this reaction is 30 minutes, and the yield is 99 %.



Uses of this chemical: The 13-bromo-tridecan-1-ol could be obtained by the reactant of 1,13-Tridecanediol, the reagent of aq. HBr, and the solvent of cyclohexane. The yield is 83 %.

You can still convert the following datas into molecular structure: 
(1)SMILES: OCCCCCCCCCCCCCO
(2)InChI: InChI=1/C13H28O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14-15H,1-13H2
(3)InChIKey: HCEPYODGJFPWOI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H28O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14-15H,1-13H2
(5)Std. InChIKey: HCEPYODGJFPWOI-UHFFFAOYSA-N